Information card for entry 2008046

Structure parameters

• Common name: 3,3',5,5'-tetramethyl-6,6'-dimethoxybiphenyl-2,2'-dimethanol
• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: COc1c(C)cc(c(c1c1c(OC)c(C)cc(c1CO)C)CO)C
• Title of publication: 6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol
• Authors of publication: Dobson, Allison J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 82 - 84
• a: 15.894 ± 0.001 Å
• b: 13.693 ± 0.002 Å
• c: 8.442 ± 0.001 Å
• α: 90°
• β: 94.87 ± 0.01°
• γ: 90°
• Cell volume: 1830.7 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No